| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(NC)C(=O)Nc1nc(C#Cc2cncs2)ccc1 |
| InChI | InChI | 1.06 | InChI=1S/C14H14N4OS/c1-10(15-2)14(19)18-13-5-3-4-11(17-13)6-7-12-8-16-9-20-12/h3-5,8-10,15H,1-2H3,(H,17,18,19)/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | SXGDRXXUUAHYAN-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[C@@H](C)C(=O)Nc1cccc(n1)C#Cc2scnc2 |
| SMILES | CACTVS | 3.385 | CN[CH](C)C(=O)Nc1cccc(n1)C#Cc2scnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@@H](C(=O)Nc1cccc(n1)C#Cc2cncs2)NC |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C(=O)Nc1cccc(n1)C#Cc2cncs2)NC |
